Accuracy

aluminum triiodide dimer   6230 Aluminum triiodide dimer

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    #  Species Formula
  6220 Sb(III)I4(-) (PICOIA)SbI4
  6221 Sb2I4Sb2I4
  6222 Sb2I4 (Geo)Sb2I4
  6223 Te(II)I4(2-) (DAMFIG) (Geo)TeI4
  6224 Te(II)I4(2-) (DAMFIG)TeI4
  6225 Te(IV)CI4(-) (IJOJAS) (Geo)C6H5TeI4
  6226 Te(IV)CI4(-) (IJOJAS)C6H5TeI4
  6227 vanadium(V) pentaiodideVI5
  6228 vanadium(V) pentaiodide (Geo)VI5
  6229 Aluminum triiodide (Al2I6) (Geo)Al2I6
  6230 Aluminum triiodide dimer Al2I6
  6231 Scandium(III) hexaiodide (Geo)ScI6
  6232 Titanium(IV) hexaiodide (Geo)TiI6
  6233 Vanadium(V) hexaiodide (Geo)VI6
  6234 Fe(III)I6 d5 (Geo)FeI6
  6235 Co(III)I6 d6 (Geo)CoI6
  6236 Yttrium(III) hexaiodide (Geo)YI6
  6237 Yttrium(III) hexaiodideYI6
  6238 Zirconium hexaiodide, dianion (Geo)ZrI6
  6239 Niobium(V) hexaiodide, anion (Geo)NbI6
  6240 Niobium(V) hexaiodideNbI6


ΔHf: -117.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 SYMMETRY PULAY PM7
Aluminum triiodide dimer
 HR=JANAF86 H=-117
 
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     1.94693340 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Al     1.94693340 +0  180.0000000 +0    0.0000000 +0     1     2     0
  I     1.90488648 +1   90.0000000 +0    0.0000000 +0     1     2     3
  I     1.90488648 +0   90.0000000 +0  180.0000000 +0     1     2     3
  I     2.44163124 +1  109.1165349 +1   90.0000000 +0     2     1     4
  I     2.44163124 +0  109.1165349 +0  -90.0000000 +0     2     1     4
  I     2.44163124 +0  109.1165349 +0   90.0000000 +0     3     1     4
  I     2.44163124 +0  109.1165349 +0  -90.0000000 +0     3     1     4
 
   2  1    3
   4  1    5
   6  1    7    8    9
   6  2    7    8    9